tert-butyl (E,2R,3R)-2-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-3-(phenylmethoxycarbonylamino)pent-4-enoate

Systemtic Name: tert-butyl (E,2R,3R)-2-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-3-(phenylmethoxycarbonylamino)pent-4-enoate Openeye Name: tert-butyl (E,2R,3R)-3-(benzyloxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-pent-4-enoate CAS Name: (E,2R,3R)-2-[(4-methoxyphenyl)methylthio]-5-phenyl-3-(phenylmethoxycarbonylamino)-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,2R,3R)-2-[(4-methoxyphenyl)methylsulfanyl]-5-phenyl-3-(phenylmethoxycarbonylamino)pent-4-enoate Traditional Name: (E,2R,3R)-3-(benzyloxycarbonylamino)-2-(p-anisylthio)-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C31H35NO5S MolecularWeight: 533.6783

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(C=CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)SCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]([C@@H](/C=C/C1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)SCC3=CC=C(C=C3)OC

InChI

InChI=1S/C31H35NO5S/c1-31(2,3)37-29(33)28(38-22-25-15-18-26(35-4)19-16-25)27(20-17-23-11-7-5-8-12-23)32-30(34)36-21-24-13-9-6-10-14-24/h5-20,27-28H,21-22H2,1-4H3,(H,32,34)/b20-17+/t27-,28-/m1/s1